methyl 4-(1-methoxy-1-oxidanylidene-pent-4-yn-2-yl)-3-methyl-benzoate

Systemtic Name: methyl 4-(1-methoxy-1-oxidanylidene-pent-4-yn-2-yl)-3-methyl-benzoate Openeye Name: methyl 4-(1-methoxycarbonylbut-3-ynyl)-3-methyl-benzoate CAS Name: 4-(1-methoxy-1-oxopent-4-yn-2-yl)-3-methylbenzoic acid methyl ester IUPAC Name: methyl 4-(1-methoxy-1-oxopent-4-yn-2-yl)-3-methylbenzoate Traditional Name: 4-(1-carbomethoxybut-3-ynyl)-3-methyl-benzoic acid methyl ester Formula: C15H16O4 MolecularWeight: 260.28514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC)C(CC#C)C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC)C(CC#C)C(=O)OC

InChI

InChI=1S/C15H16O4/c1-5-6-13(15(17)19-4)12-8-7-11(9-10(12)2)14(16)18-3/h1,7-9,13H,6H2,2-4H3